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Home > Bromides > 1234616-09-1
1234616-09-1 | 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 6-bromo-, ethyl ester
CAS No: 1234616-09-1 Catalog No: AG000KMT MDL No:MFCD16657717
Product Description
Catalog Number:
AG000KMT
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 6-bromo-, ethyl ester
CAS Number:
1234616-09-1
Molecular Formula:
C10H9BrN2O2
Molecular Weight:
269.0947
MDL Number:
MFCD16657717
IUPAC Name:
ethyl 6-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
InChI:
InChI=1S/C10H9BrN2O2/c1-2-15-10(14)9-4-7-8(13-9)3-6(11)5-12-7/h3-5,13H,2H2,1H3
InChI Key:
UIDPTVHTALSVCH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)cc(cn2)Br
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.985g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.098g/mol
Monoisotopic Mass:
267.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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